SCHEMBL480284

SCHEMBL480284

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 1.00
ITGA4 P13612 20/20 1.00
ITGA2 P17301 1/20 1.00
ITGB7 P26010 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6641625 1.00 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL14802063 1.00 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6638294 0.99 ITGB1 (0.98) ITGB1ITGA4ITGA2ITGB7
Alcohol SCHEMBL6829612 0.97 ITGB1 (0.94) ITGB1ITGA4ITGA2ITGB7
SCHEMBL29646297 0.94 ITGB1 (0.88) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639281 0.93 ITGB1 (0.88) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7542199 0.93 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6828409 0.93 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6638576 0.93 ITGB1 (0.92) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6636796 0.93 ITGB1 (0.86) ITGB1ITGA4ITGA2ITGB7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO claimed
EP-1978928-B1 PHARMACEUTICAL VALATOGRAST COMPOSITIONS AND PROCESS FOR MANUFACTURING THEM HOFFMANN LA ROCHE (CH) 2010-03-31 EP claimed
EP-1005445-B1 N-ALKANOYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
US-11964987-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-04-23 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
EP-1154987-B1 PHENYLALANINOL DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-04-21 EP disclosed
EP-1403247-A1 N-Alkanoylphenylalanine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-6420600-B1 HYDROXYALKYLPHENYLDIAMIDES HOFFMAN-LA ROCHE INC. 2002-07-16 US disclosed
EP-1154987-A1 PHENYLALANINOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-21 EP disclosed
US-6229011-B1 BINDING INHIBITORS BETWEEN VASCULAR ADHESION MOLECULE-1 AND ALPHA. BETA.INTEGRIN; USEFUL FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS MULTIPLE SCLEROSIS, ASTHMA, AND INFLAMMATORY BOWEL DISEASE HOFFMAN-LA ROCHE INC. 2001-05-08 US disclosed
CN-1281430-A N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2001-01-24 CN disclosed
WO-2000048988-A1 PHENYLALANINOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-24 WO disclosed
EP-1005445-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010312-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11964987-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGA2 70/4885
US-10815244-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGA2 70/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGA2 70/4885
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS MIF, ITGB7, ITGB4 ITGB1 10/4885ITGA4 4/4885ITGA2 53/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.